N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxan-2-yl)acetamide

C14H27NO3 — CID 103843667

IUPACN-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxan-2-yl)acetamide
SMILESCCC(CC)(CO)CNC(=O)CC1CCCCO1
InChIInChI=1S/C14H27NO3/c1-3-14(4-2,11-16)10-15-13(17)9-12-7-5-6-8-18-12/h12,16H,3-11H2,1-2H3,(H,15,17)
InChIKeyRWGCPEKEUGXTOO-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.86
Rot. Bonds7

About N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxan-2-yl)acetamide

N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxan-2-yl)acetamide (PubChem CID 103843667) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxan-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxan-2-yl)acetamide
PubChem CID103843667
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC NameN-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxan-2-yl)acetamide
SMILESCCC(CC)(CO)CNC(=O)CC1CCCCO1
InChIInChI=1S/C14H27NO3/c1-3-14(4-2,11-16)10-15-13(17)9-12-7-5-6-8-18-12/h12,16H,3-11H2,1-2H3,(H,15,17)
InChIKeyRWGCPEKEUGXTOO-UHFFFAOYSA-N
XLogP1.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxan-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-2-ethylbutyl)-2-(oxan-2-yl)acetamide
CID 81483834
N-(5-hydroxy-2,2-dimethylpentyl)-2-(oxan-2-yl)acetamide
CID 103899551
N-(3-chloro-2,2-dimethylpropyl)-2-(oxolan-2-yl)acetamide
CID 115364529
2-(oxan-2-yl)-N-pentylacetamide
CID 110415818
2-ethyl-2-[[3-(oxolan-2-yl)propylamino]methyl]butan-1-ol
CID 104668729
N-(2-methoxyethyl)-2-(oxan-2-yl)acetamide
CID 110407614
N-ethyl-2-(oxetan-2-yl)acetamide
CID 146215054
N-(4-bromo-2,2-dimethylbutyl)-2-(oxolan-2-yl)acetamide
CID 106143879
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563
N-(4-hydroxy-2-methylbutan-2-yl)-2-(oxan-2-yl)acetamide
CID 115968720
N-(5-chloro-2,2-dimethylpentyl)-2-(oxolan-2-yl)acetamide
CID 106144658
2-(oxolan-2-yl)-N-prop-2-ynylacetamide
CID 60769102

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxan-2-yl)acetamide?
The IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxan-2-yl)acetamide (CID 103843667) is N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxan-2-yl)acetamide.
What is the SMILES notation for N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxan-2-yl)acetamide?
The canonical SMILES for N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxan-2-yl)acetamide is CCC(CC)(CO)CNC(=O)CC1CCCCO1.
What is the InChIKey of N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxan-2-yl)acetamide?
The InChIKey is RWGCPEKEUGXTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-3-14(4-2,11-16)10-15-13(17)9-12-7-5-6-8-18-12/h12,16H,3-11H2,1-2H3,(H,15,17).
What are the key properties of N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxan-2-yl)acetamide?
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxan-2-yl)acetamide has a molecular weight of 257.37 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxan-2-yl)acetamide is sourced from PubChem (CID 103843667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).